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A simple analytical approximation for the vibrational partition function of diatomic systems

✍ Scribed by A.S. Saakyan; B.S. Butayev; V.P. Spiridonov

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 308 KB
Volume: 123
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80017-3

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✦ Synopsis

Approximate

analytical expressions for the evaluation of the partition function of an anharmonic oscillator characterized by the spectroscopic energy formula E, = hc[w,(n + f)-oex,( n + i)'] have been suggested. By using these expressions partition functions for a set of representative diatomic molecules were calculated in the temperature range 300-2000 K. A comparison is made of the results thus obtained with those based on a direct summation of the Boltzmann factors over vibrational levels.

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